![ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate structure](/static/products/5556/5556-29-6.webp)
ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate
TL;DR: ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate (CAS 5556-29-6) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate
Also Known As: ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate, 2-[ethoxy(hydroxy)methylidene]-4H-thieno[3,2-b]pyrrol-3-one, (2E)-2-[ethoxy(hydroxy)methylidene]-4H-thieno[3,2-b]pyrrol-3-one, (2Z)-2-[ethoxy(hydroxy)methylidene]-4H-thieno[3,2-b]pyrrol-3-one
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 5556-29-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)C=CN2)O |
| InChIKey | ZKRYGBGWZYNKMX-UHFFFAOYSA-N |
Product Overview
ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate (CAS 5556-29-6), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate
Property Insights of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The CAS number of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate is 5556-29-6.
What is the molecular formula of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The molecular formula of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate is C9H9NO3S.
What is the molecular weight of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The molecular weight of ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate is 211.03 g/mol.
Where can I buy ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate?
You can request a quote for ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.